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CAS 131852-53-4 (S)-(-)-1-BENZYL-3-(BOC-AMINO)PYRROLIDINE molecular structure lightbox
CAS RN: 131852-53-4

(S)-(-)-1-BENZYL-3-(BOC-AMINO)PYRROLIDINE

Product Availability

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 100g Out of stock Inquiry
Batchno.20250616 10g Out of stock Inquiry
Batchno.20260529 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20251107 25g Out of stock Inquiry
Batchno.20260305 5g Out of stock Inquiry
  • Product code: SSC-038944
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 131852-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

131852-53-4 / tert-butyl N-[(3S)-1-benzylpyrrolidin-3-yl]carbamate

Standard CAS: 131852-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131852-53-4
Multi CAS
No
Molecular Formula
C16H24N2O2
Molecular Weight
276.370000
Exact Mass
276.183778
SMILES
CC(C)(C)OC(=O)N[C@H]1CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKey
PHOIDJGLYWEUEK-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.49
TPSA
41.57

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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